(3-methyl-4-nitro-phenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate

Systemtic Name: (3-methyl-4-nitro-phenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate Openeye Name: (3-methyl-4-nitro-phenyl)methyl 4-[(2-methoxy-1-naphthyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(2-methoxy-1-naphthalenyl)methyl]-1-piperazinecarboxylic acid (3-methyl-4-nitrophenyl)methyl ester IUPAC Name: (3-methyl-4-nitrophenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(2-methoxy-1-naphthyl)methyl]piperazine-1-carboxylic acid (3-methyl-4-nitro-benzyl) ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)COC(=O)N2CCN(CC2)CC3=C(C=CC4=CC=CC=C43)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)COC(=O)N2CCN(CC2)CC3=C(C=CC4=CC=CC=C43)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H27N3O5/c1-18-15-19(7-9-23(18)28(30)31)17-33-25(29)27-13-11-26(12-14-27)16-22-21-6-4-3-5-20(21)8-10-24(22)32-2/h3-10,15H,11-14,16-17H2,1-2H3